SCHEMBL11432808

SCHEMBL11432808

COC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.83
AR P10275 2/20 0.83
CHRM1 P11229 2/20 0.83
HIF1A Q16665 10/20 0.74
LMNA P02545 2/20 0.74
SERPINA6 P08185 2/20 0.74
NR3C2 P08235 8/20 0.71
NR3C1 P04150 3/20 0.65
KMT2A Q03164 2/20 0.64
CYP3A4 P08684 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NFKB1 P19838 2/20 0.59
SHBG P04278 1/20 0.59
MAPT P10636 1/20 0.59
PMP22 Q01453 1/20 0.58
TSHR P16473 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11283513 0.95 PGR (0.75) PGRARCHRM1HIF1ALMNA
SCHEMBL11438892 0.94 PGR (0.85) PGRARCHRM1HIF1ALMNA
SCHEMBL10380853 0.94 PGR (0.87) PGRARCHRM1HIF1ALMNA
SCHEMBL1247962 0.94 PGR (0.87) PGRARCHRM1HIF1ALMNA
SCHEMBL10380855 0.94 PGR (0.87) PGRARCHRM1HIF1ALMNA
SCHEMBL11424019 0.93 PGR (0.74) PGRARCHRM1HIF1ALMNA
SCHEMBL11424211 0.92 PGR (0.81) PGRARCHRM1HIF1ALMNA
SCHEMBL11430731 0.92 PGR (0.73) PGRARCHRM1HIF1ALMNA
SCHEMBL11424802 0.92 PGR (0.81) PGRARCHRM1HIF1ALMNA
SCHEMBL11425477 0.91 PGR (0.80) PGRARCHRM1HIF1ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed